1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide

C24H25NO — CID 101263525

IUPAC1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide
SMILESC=C(C)CN(C(=O)C1(Cc2ccccc2)C=CCC=C1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-20(2)19-25(22-14-8-4-9-15-22)23(26)24(16-10-5-11-17-24)18-21-12-6-3-7-13-21/h3-4,6-17H,1,5,18-19H2,2H3
InChIKeyHWALSXWONKOGJN-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.34
Rot. Bonds6

About 1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide

1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide (PubChem CID 101263525) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide
PubChem CID101263525
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide
SMILESC=C(C)CN(C(=O)C1(Cc2ccccc2)C=CCC=C1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-20(2)19-25(22-14-8-4-9-15-22)23(26)24(16-10-5-11-17-24)18-21-12-6-3-7-13-21/h3-4,6-17H,1,5,18-19H2,2H3
InChIKeyHWALSXWONKOGJN-UHFFFAOYSA-N
XLogP5.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1-benzylcyclohexa-2,5-dien-1-yl) hydrogen carbonate
CID 69345985
N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide
CID 11022412
N-(bromomethyl)-N-phenylacetamide
CID 67904201
2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid
CID 119346553
3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
hydroxymethyl(phenyl)carbamic acid
CID 69165687
methyl 2-[(N-acetylanilino)methyl]prop-2-enoate
CID 122402502
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987
N,N-dibenzyl-2-(N-methylanilino)acetamide
CID 102294551
N-(2-benzylprop-2-enyl)-N-methylacetamide
CID 91265277
2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid
CID 63141819

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide (CID 101263525) is 1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide is C=C(C)CN(C(=O)C1(Cc2ccccc2)C=CCC=C1)c1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide?
The InChIKey is HWALSXWONKOGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-20(2)19-25(22-14-8-4-9-15-22)23(26)24(16-10-5-11-17-24)18-21-12-6-3-7-13-21/h3-4,6-17H,1,5,18-19H2,2H3.
What are the key properties of 1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide?
1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylprop-2-enyl)-N-phenylcyclohexa-2,5-diene-1-carboxamide is sourced from PubChem (CID 101263525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).